Vitas-M small molecule compound
3-(azepan-1-ylsulfonyl)-4-methyl-N-(2-methyl-3-nitrophenyl)benzamide
Catalog ID
STK257316
SMILES O=C(c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)C)Nc1cccc(c1C)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H25N3O5S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5S/c1-15-10-11-17(14-20(15)30(28,29)23-12-5-3-4-6-13-23)21(25)22-18-8-7-9-19(16(18)2)24(26)27/h7-11,14H,3-6,12-13H2,1-2H3,(H,22,25)InChIKey
FXYYGJMISYFYOM-UHFFFAOYSA-NSynonyms
3(azepan1ylsulfonyl)4methylN(2methyl3nitrophenyl)benzamide
3(AZEPANE1SULFONYL)4METHYLN(2METHYL3NITROPHENYL)BENZAMIDE
CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC=C2)(N+)(=O)(O))C)S(=O)(=O)N3CCCCCC3
InChI=1SC21H25N3O5Sc115101117(1420(15)30(2829)231253461323)21(25)221887919(16(18)2)24(26)27h71114H361213H212H3(H2225)
MFCD08683463
O=C(c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)C)Nc1cccc(c1C)(N+)(=O)(O)
ZINC000009356138
ZINC09356138
ZINC9356138
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